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CS-W001157 4
Total: USD 88.00

1,3-dichloro-5,6-dihydro-4H-cyclopenta[c]thiophen-4-one

  • CAS No. 7687-79-8

  • Cat. No. CS-W000071
  • Purity≥98%
  • MDL No.MFCD00094480

*For research and further manufacturing use only, not for direct human use.

1,3-dichloro-5,6-dihydro-4H-cyclopenta[c]thiophen-4-one|CS-W000071

Structure of 7687-79-8

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General Information

  • CAS No. 7687-79-8
  • Cat. No. CS-W000071
  • Purity ≥98%
  • MDL No. MFCD00094480
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄Cl₂OS
  • Molecular Weight 207.08
  • Synonym(s) 1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one
  • SMILES O=C1CCC2=C(Cl)SC(Cl)=C21

Synthesis

  • Route1
    • null|null
      79-37-8
    • 2,5-Dichloro-3-thiophenepropanoic acid|CS-0641623
      7687-78-7
    • ~95%
    • 1,3-dichloro-5,6-dihydro-4H-cyclopenta[c]thiophen-4-one|CS-W000071
      7687-79-8

    References

    • Pfizer Pharamaceuticals Inc. Patent: US6048880 A1, 2000 ;
  • Route2
    • null|null
      7687-74-3
    • ~%
    • 1,3-dichloro-5,6-dihydro-4H-cyclopenta[c]thiophen-4-one|CS-W000071
      7687-79-8

    References

    • Garreau, R.; Roncali, J.; Garnier, F.; Lemaire, M. Journal de Chimie Physique et de Physico-Chimie Biologique, 1989 , vol. 86, # 1 p. 93 - 98
  • Route3
    • null|null
      10095-91-7
    • ~%
    • 1,3-dichloro-5,6-dihydro-4H-cyclopenta[c]thiophen-4-one|CS-W000071
      7687-79-8

    References

    • Garreau, R.; Roncali, J.; Garnier, F.; Lemaire, M. Journal de Chimie Physique et de Physico-Chimie Biologique, 1989 , vol. 86, # 1 p. 93 - 98

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.1838
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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